Reading Output Magnetic Moments

Message

kambiz · #1 Post by **kambiz** » Thu Jan 20, 2011 5:57 am

Hi dear all,

Is there a way to read the magnetic moments of each atoms in the output files without putting LORBIT in the INCAR file?

Thank you

forsdan · #2 Post by **forsdan** » Sun Jan 23, 2011 7:39 pm

You can always integrate the magnetization density around each atom within a sphere with the radius of your choice, provided of course that you have the CHGCAR (or CHG) file. The accuracy will depend on your grid spacing and integration method.

Cheers,
/Dan
<span class='smallblacktext'>[ Edited Sun Jan 23 2011, 08:42PM ]</span>

kambiz · #3 Post by **kambiz** » Mon Jan 31, 2011 4:32 am

Thanks Dan for your answer